Table 2. Selected crystallographic data for merged ZSM-5 data sets.
Space group Pnma (No. 62), unit-cell parameters a = 20.022 (4) Å, b = 19.899 (4) Å, c = 13.383 (3) Å, electron wavelength λ = 0.0197 Å. Statistics in different resolution shells are given in Tables S4 and S5.
| SAED | NED | |
|---|---|---|
| Data sets merged | 5 | 6 |
| Total No. of reflections | 61596 | 65672 |
| No. of unique reflections | 5159 | 5299 |
| No. of reflections with I > 2σ(I) | 2854 | 3903 |
| R int | 0.3082 | 0.2282 |
| Completeness (%) | 95.8 | 98.2 |
| Resolution cutoff (Å) | 0.80 | 0.80 |
| No. of parameters | 332 | 332 |
| No. of restraints | 2 | 0 |
| R 1 [I > 2σ(I)] | 0.1992 | 0.1758 |
| R 1 (all data) | 0.2612 | 0.1997 |
| GoF | 1.584 | 1.609 |